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3013-27-2

3013-27-2 Structure

3013-27-2 Structure
IdentificationBack Directory
[Name]

3-FLUORO-2-NITROTOLUENE
[CAS]

3013-27-2
[Synonyms]

3-FLUORO-2-NITROTOLUENE
2-Fluoro-2-Nitrotoluene
3-Fluoro-2-nitrotoluene 99%
3-Fluoro-2-nitrotoluene,96%
Benzene, 1-fluoro-3-methyl-2-nitro-
2-Fluoro-6-methylnitrobenzene, 1-Fluoro-3-methyl-2-nitrobenzene
[Molecular Formula]

C7H6FNO2
[MDL Number]

MFCD08458093
[MOL File]

3013-27-2.mol
[Molecular Weight]

155.126
Chemical PropertiesBack Directory
[Melting point ]

17-18℃
[Boiling point ]

226.1±20.0 °C(Predicted)
[density ]

1.274±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

Low Melting Solid
[color ]

Off-white
[InChI]

InChI=1S/C7H6FNO2/c1-5-3-2-4-6(8)7(5)9(10)11/h2-4H,1H3
[InChIKey]

JSXAJLMUBSEJFF-UHFFFAOYSA-N
[SMILES]

C1(F)=CC=CC(C)=C1[N+]([O-])=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[RIDADR ]

UN2811
[HazardClass ]

6.1
[HS Code ]

2904990090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Used as a pharmaceutical intermediate.
[Synthesis]

3-Fluoro-2-nitrotoluene is prepared by nitration of m-Chloroperbenzoic acid in 1,2-Dichloroethane for 4h at 70℃.
3-Fluoro-2-nitrotoluene synthesis
[References]

[1] Patent: WO2015/92713, 2015, A1. Location in patent: Page/Page column 118
Spectrum DetailBack Directory
[Spectrum Detail]

3-Fluoro-2-nitrotoluene(3013-27-2)1HNMR
3-Fluoro-2-nitrotoluene(3013-27-2)FT-IR
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